data_7084 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Dr13312 chemical shift data ; _BMRB_accession_number 7084 _BMRB_flat_file_name bmr7084.str _Entry_type new _Submission_date 2006-04-24 _Accession_date 2006-04-24 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Tyler Robert C. . 2 Song Jikui . . 3 Markley John L. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 444 "13C chemical shifts" 347 "15N chemical shifts" 77 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2009-06-23 update BMRB 'added time domain data' 2006-06-28 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'NMR Structural Investigation of Dr13312' _Citation_status 'in preparation' _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Tyler Robert C. . 2 Song Jikui . . 3 Markley John L. . stop_ _Journal_abbreviation 'Protein Sci.' _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year . _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name Dr13312 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label Dr13312 $Protein stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state 'all free' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_Protein _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common Dr13312 _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 95 _Mol_residue_sequence ; GHHHHHHLEDPSGGTPYIGS KISLISKAEIRYEGILYTID TENSTVALAKVRSFGTEDRP TDRPIAPRDETFEYIIFRGS DIKDLTVCEPPKPIM ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 HIS 3 HIS 4 HIS 5 HIS 6 HIS 7 HIS 8 LEU 9 GLU 10 ASP 11 PRO 12 SER 13 GLY 14 GLY 15 THR 16 PRO 17 TYR 18 ILE 19 GLY 20 SER 21 LYS 22 ILE 23 SER 24 LEU 25 ILE 26 SER 27 LYS 28 ALA 29 GLU 30 ILE 31 ARG 32 TYR 33 GLU 34 GLY 35 ILE 36 LEU 37 TYR 38 THR 39 ILE 40 ASP 41 THR 42 GLU 43 ASN 44 SER 45 THR 46 VAL 47 ALA 48 LEU 49 ALA 50 LYS 51 VAL 52 ARG 53 SER 54 PHE 55 GLY 56 THR 57 GLU 58 ASP 59 ARG 60 PRO 61 THR 62 ASP 63 ARG 64 PRO 65 ILE 66 ALA 67 PRO 68 ARG 69 ASP 70 GLU 71 THR 72 PHE 73 GLU 74 TYR 75 ILE 76 ILE 77 PHE 78 ARG 79 GLY 80 SER 81 ASP 82 ILE 83 LYS 84 ASP 85 LEU 86 THR 87 VAL 88 CYS 89 GLU 90 PRO 91 PRO 92 LYS 93 PRO 94 ILE 95 MET stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-28 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value BMRB 15971 DANIO_RERIO_RAP55 100.00 95 100.00 100.00 1.77e-61 PDB 2FB7 "Nmr Solution Structure Of Protein From Zebra Fish Dr.13312" 100.00 95 100.00 100.00 1.77e-61 PDB 2VXF "Solution Structure Of The Lsm-Domain Of Zebrafish Rap55" 100.00 95 100.00 100.00 1.77e-61 DBJ BAB55259 "unnamed protein product [Homo sapiens]" 86.32 463 97.56 97.56 2.17e-44 DBJ BAC99045 "alphaSNBP(A) [Homo sapiens]" 86.32 463 97.56 97.56 5.15e-46 DBJ BAC99046 "alphaSNBP(B) [Homo sapiens]" 86.32 463 97.56 97.56 4.23e-46 DBJ BAF36055 "RAP55 protein [Xenopus laevis]" 86.32 471 97.56 97.56 7.13e-46 DBJ BAG10232 "LSM14 protein homolog A [synthetic construct]" 86.32 463 97.56 97.56 5.15e-46 EMBL CAG31566 "hypothetical protein RCJMB04_8b16 [Gallus gallus]" 86.32 461 97.56 97.56 5.16e-46 EMBL CAH93252 "hypothetical protein [Pongo abelii]" 86.32 463 97.56 97.56 4.89e-46 EMBL CDQ65324 "unnamed protein product [Oncorhynchus mykiss]" 86.32 166 97.56 97.56 1.38e-48 EMBL CDQ79842 "unnamed protein product [Oncorhynchus mykiss]" 85.26 444 97.53 97.53 4.39e-45 EMBL CDQ84551 "unnamed protein product [Oncorhynchus mykiss]" 85.26 447 97.53 97.53 4.79e-45 GB AAH16842 "LSM14A protein [Homo sapiens]" 86.32 463 97.56 97.56 4.23e-46 GB AAH31521 "LSM14 homolog A (SCD6, S. cerevisiae) [Mus musculus]" 86.32 462 97.56 97.56 7.15e-46 GB AAH42251 "MGC53350 protein [Xenopus laevis]" 86.32 471 97.56 97.56 4.03e-46 GB AAH54659 "Lsm14a protein [Danio rerio]" 86.32 243 100.00 100.00 2.04e-49 GB AAH55387 "Lsm14a protein [Danio rerio]" 88.42 85 100.00 100.00 3.23e-52 REF NP_001012796 "protein LSM14 homolog A [Gallus gallus]" 86.32 461 97.56 97.56 5.16e-46 REF NP_001029826 "protein LSM14 homolog A [Bos taurus]" 86.32 463 97.56 97.56 5.78e-46 REF NP_001079434 "protein LSM14 homolog A-B [Xenopus laevis]" 86.32 471 97.56 97.56 4.03e-46 REF NP_001087507 "protein LSM14 homolog A-A [Xenopus laevis]" 86.32 471 97.56 97.56 7.13e-46 REF NP_001107565 "protein LSM14 homolog A isoform a [Homo sapiens]" 86.32 463 97.56 97.56 5.15e-46 SP A0A8M2 "RecName: Full=Protein LSM14 homolog A-A; AltName: Full=RNA-associated protein 55A-A; Short=RAP55A-A; Short=xRAP55; Short=xRAP55" 86.32 471 97.56 97.56 7.13e-46 SP Q3MHF8 "RecName: Full=Protein LSM14 homolog A; AltName: Full=Protein FAM61A; AltName: Full=RNA-associated protein 55A [Bos taurus]" 86.32 463 97.56 97.56 5.78e-46 SP Q5R4R4 "RecName: Full=Protein LSM14 homolog A; AltName: Full=Protein FAM61A; AltName: Full=RNA-associated protein 55A [Pongo abelii]" 86.32 463 97.56 97.56 4.89e-46 SP Q6NVR8 "RecName: Full=Protein LSM14 homolog A; AltName: Full=RNA-associated protein 55A; Short=RAP55A [Xenopus (Silurana) tropicalis]" 86.32 469 97.56 97.56 3.76e-46 SP Q8AVJ2 "RecName: Full=Protein LSM14 homolog A-B; AltName: Full=RNA-associated protein 55A-B; Short=RAP55A-B [Xenopus laevis]" 86.32 471 97.56 97.56 4.03e-46 TPG DAA19959 "TPA: protein LSM14 homolog A [Bos taurus]" 86.32 463 97.56 97.56 5.31e-46 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $Protein 'Zebra Fish' 7955 Eukaryota Metazoa Danio rerio stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $Protein 'cell free synthesis' . . . . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Protein . mM . stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_600MHz_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model inova _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_1H15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name 1H15N_HSQC _Sample_label $sample_1 save_ save_NMR_spectrometer_expt_1 _Saveframe_category NMR_applied_experiment _Experiment_name 1H15N_HSQC _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.5 0.1 pH stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_referencing _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis Water H 1 protons ppm 4.7 direct internal . . . stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $conditions_1 _Chem_shift_reference_set_label $chemical_shift_referencing _Mol_system_component_name Dr13312 _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 7 7 HIS HA H 4.612 0.0 . 2 7 7 HIS HB2 H 3.08 0.0 . 3 7 7 HIS HB3 H 3.08 0.0 . 4 7 7 HIS CA C 56.47 0.0 . 5 7 7 HIS CB C 30.011 0.0 . 6 8 8 LEU H H 8.312 0.0 . 7 8 8 LEU HA H 4.265 0.0 . 8 8 8 LEU HB2 H 1.49 0.0 . 9 8 8 LEU HB3 H 1.49 0.0 . 10 8 8 LEU HG H 1.381 0.0 . 11 8 8 LEU HD1 H 0.718 0.0 . 12 8 8 LEU HD2 H 0.684 0.0 . 13 8 8 LEU CA C 54.977 0.0 . 14 8 8 LEU CB C 42.09 0.0 . 15 8 8 LEU CG C 26.93 0.0 . 16 8 8 LEU CD1 C 25.186 0.0 . 17 8 8 LEU CD2 C 23.561 0.0 . 18 8 8 LEU N N 122.503 0.0 . 19 9 9 GLU H H 8.301 0.0 . 20 9 9 GLU HA H 4.226 0.0 . 21 9 9 GLU HB2 H 1.956 0.0 . 22 9 9 GLU HB3 H 1.956 0.0 . 23 9 9 GLU HG2 H 2.212 0.0 . 24 9 9 GLU HG3 H 2.212 0.0 . 25 9 9 GLU CA C 56.803 0.0 . 26 9 9 GLU CB C 30.476 0.0 . 27 9 9 GLU CG C 36.256 0.0 . 28 9 9 GLU N N 120.077 0.0 . 29 10 10 ASP H H 8.044 0.0 . 30 10 10 ASP HA H 4.908 0.0 . 31 10 10 ASP HB2 H 2.867 0.0 . 32 10 10 ASP CA C 52.03 0.0 . 33 10 10 ASP CB C 42.3 0.0 . 34 10 10 ASP N N 120.239 0.0 . 35 11 11 PRO HA H 4.309 0.0 . 36 11 11 PRO HB2 H 2.25 0.0 . 37 11 11 PRO HB3 H 1.875 0.0 . 38 11 11 PRO HG2 H 2.036 0.0 . 39 11 11 PRO HD2 H 3.812 0.0 . 40 11 11 PRO HD3 H 3.812 0.0 . 41 11 11 PRO C C 177.426 0.0 . 42 11 11 PRO CA C 64.53 0.0 . 43 11 11 PRO CB C 32.028 0.0 . 44 11 11 PRO CG C 27.344 0.0 . 45 11 11 PRO CD C 50.801 0.0 . 46 12 12 SER H H 8.455 0.0 . 47 12 12 SER HA H 4.316 0.0 . 48 12 12 SER HB2 H 3.935 0.0 . 49 12 12 SER HB3 H 3.935 0.0 . 50 12 12 SER C C 175.613 0.0 . 51 12 12 SER CA C 59.796 0.0 . 52 12 12 SER CB C 63.554 0.0 . 53 12 12 SER N N 114.106 0.0 . 54 13 13 GLY H H 8.207 0.0 . 55 13 13 GLY HA2 H 4.035 0.0 . 56 13 13 GLY HA3 H 4.035 0.0 . 57 13 13 GLY C C 174.752 0.0 . 58 13 13 GLY CA C 45.583 0.0 . 59 13 13 GLY N N 110.168 0.0 . 60 14 14 GLY H H 8.214 0.0 . 61 14 14 GLY HA2 H 4.208 0.0 . 62 14 14 GLY HA3 H 3.31 0.0 . 63 14 14 GLY C C 173.955 0.0 . 64 14 14 GLY CA C 45.394 0.0 . 65 14 14 GLY N N 107.52 0.0 . 66 15 15 THR H H 8.687 0.0 . 67 15 15 THR HA H 4.3 0.0 . 68 15 15 THR HB H 4.1 0.0 . 69 15 15 THR HG2 H 1.17 0.0 . 70 15 15 THR CA C 63.099 0.0 . 71 15 15 THR CB C 69.165 0.0 . 72 15 15 THR CG2 C 21.5 0.0 . 73 15 15 THR N N 111.467 0.0 . 74 16 16 PRO HA H 4.425 0.0 . 75 16 16 PRO HB2 H 2.271 0.0 . 76 16 16 PRO HB3 H 1.937 0.0 . 77 16 16 PRO HG2 H 2.0 0.0 . 78 16 16 PRO HD2 H 3.815 0.0 . 79 16 16 PRO HD3 H 3.633 0.0 . 80 16 16 PRO C C 176.03 0.0 . 81 16 16 PRO CA C 63.336 0.0 . 82 16 16 PRO CB C 31.836 0.0 . 83 16 16 PRO CG C 27.353 0.0 . 84 16 16 PRO CD C 50.463 0.0 . 85 17 17 TYR H H 7.706 0.0 . 86 17 17 TYR CB C 39.83 0.0 . 87 17 17 TYR N N 125.271 0.0 . 88 18 18 ILE HA H 3.561 0.0 . 89 18 18 ILE HB H 1.861 0.0 . 90 18 18 ILE HG12 H 1.27 0.0 . 91 18 18 ILE HG13 H 1.6 0.0 . 92 18 18 ILE HG2 H 0.928 0.0 . 93 18 18 ILE HD1 H 0.782 0.0 . 94 18 18 ILE C C 177.306 0.0 . 95 18 18 ILE CA C 63.358 0.0 . 96 18 18 ILE CB C 36.402 0.0 . 97 18 18 ILE CG1 C 28.02 0.0 . 98 18 18 ILE CG2 C 17.36 0.0 . 99 18 18 ILE CD1 C 11.476 0.0 . 100 19 19 GLY H H 9.31 0.0 . 101 19 19 GLY HA2 H 3.583 0.0 . 102 19 19 GLY HA3 H 4.559 0.0 . 103 19 19 GLY C C 174.774 0.0 . 104 19 19 GLY CA C 44.846 0.0 . 105 19 19 GLY N N 115.888 0.0 . 106 20 20 SER H H 8.307 0.0 . 107 20 20 SER HA H 4.439 0.0 . 108 20 20 SER HB2 H 3.841 0.0 . 109 20 20 SER HB3 H 3.841 0.0 . 110 20 20 SER C C 172.525 0.0 . 111 20 20 SER CA C 59.651 0.0 . 112 20 20 SER CB C 64.527 0.0 . 113 20 20 SER N N 117.263 0.0 . 114 21 21 LYS H H 8.703 0.0 . 115 21 21 LYS HA H 4.691 0.0 . 116 21 21 LYS HB2 H 1.768 0.0 . 117 21 21 LYS HB3 H 1.768 0.0 . 118 21 21 LYS HG2 H 1.374 0.0 . 119 21 21 LYS HG3 H 1.374 0.0 . 120 21 21 LYS HD2 H 1.67 0.0 . 121 21 21 LYS HE2 H 2.98 0.0 . 122 21 21 LYS C C 175.321 0.0 . 123 21 21 LYS CA C 56.778 0.0 . 124 21 21 LYS CB C 32.843 0.0 . 125 21 21 LYS CG C 25.411 0.0 . 126 21 21 LYS CD C 29.311 0.0 . 127 21 21 LYS CE C 42.33 0.0 . 128 21 21 LYS N N 124.119 0.0 . 129 22 22 ILE H H 9.249 0.0 . 130 22 22 ILE HA H 4.99 0.0 . 131 22 22 ILE HB H 1.887 0.0 . 132 22 22 ILE HG12 H 1.2 0.0 . 133 22 22 ILE HG13 H 1.43 0.0 . 134 22 22 ILE HG2 H 0.798 0.0 . 135 22 22 ILE HD1 H 0.85 0.0 . 136 22 22 ILE C C 174.369 0.0 . 137 22 22 ILE CA C 57.877 0.0 . 138 22 22 ILE CB C 41.091 0.0 . 139 22 22 ILE CG1 C 27.393 0.0 . 140 22 22 ILE CG2 C 19.183 0.0 . 141 22 22 ILE CD1 C 13.089 0.0 . 142 22 22 ILE N N 125.573 0.0 . 143 23 23 SER H H 8.641 0.0 . 144 23 23 SER HA H 5.521 0.0 . 145 23 23 SER HB2 H 3.63 0.0 . 146 23 23 SER HB3 H 3.482 0.0 . 147 23 23 SER C C 173.444 0.0 . 148 23 23 SER CA C 56.028 0.0 . 149 23 23 SER CB C 64.089 0.0 . 150 23 23 SER N N 117.426 0.0 . 151 24 24 LEU H H 9.435 0.0 . 152 24 24 LEU HA H 5.14 0.0 . 153 24 24 LEU HB2 H 1.326 0.0 . 154 24 24 LEU HB3 H 1.326 0.0 . 155 24 24 LEU HG H 1.74 0.0 . 156 24 24 LEU HD1 H 0.052 0.0 . 157 24 24 LEU HD2 H 0.02 0.0 . 158 24 24 LEU C C 174.592 0.0 . 159 24 24 LEU CA C 54.164 0.0 . 160 24 24 LEU CB C 46.791 0.0 . 161 24 24 LEU CG C 32.77 0.0 . 162 24 24 LEU CD1 C 26.21 0.0 . 163 24 24 LEU CD2 C 24.084 0.0 . 164 24 24 LEU N N 131.51 0.0 . 165 25 25 ILE H H 8.897 0.0 . 166 25 25 ILE HA H 5.147 0.0 . 167 25 25 ILE HB H 1.568 0.0 . 168 25 25 ILE HG12 H 0.63 0.0 . 169 25 25 ILE HG2 H 0.889 0.0 . 170 25 25 ILE HD1 H 0.77 0.0 . 171 25 25 ILE C C 176.399 0.0 . 172 25 25 ILE CA C 59.688 0.0 . 173 25 25 ILE CB C 39.5 0.0 . 174 25 25 ILE CG1 C 28.281 0.0 . 175 25 25 ILE CG2 C 17.052 0.0 . 176 25 25 ILE CD1 C 12.784 0.0 . 177 25 25 ILE N N 124.686 0.0 . 178 26 26 SER H H 9.503 0.0 . 179 26 26 SER HA H 5.229 0.0 . 180 26 26 SER HB2 H 4.02 0.0 . 181 26 26 SER HB3 H 4.886 0.0 . 182 26 26 SER C C 176.228 0.0 . 183 26 26 SER CA C 56.869 0.0 . 184 26 26 SER CB C 66.993 0.0 . 185 26 26 SER N N 125.514 0.0 . 186 27 27 LYS H H 8.518 0.0 . 187 27 27 LYS HA H 4.038 0.0 . 188 27 27 LYS HB2 H 1.984 0.0 . 189 27 27 LYS HB3 H 1.984 0.0 . 190 27 27 LYS HG2 H 1.301 0.0 . 191 27 27 LYS HG3 H 1.5 0.0 . 192 27 27 LYS HD2 H 1.5 0.0 . 193 27 27 LYS HE2 H 2.949 0.0 . 194 27 27 LYS C C 176.839 0.0 . 195 27 27 LYS CA C 58.833 0.0 . 196 27 27 LYS CB C 31.838 0.0 . 197 27 27 LYS CG C 26.46 0.0 . 198 27 27 LYS CD C 29.088 0.0 . 199 27 27 LYS CE C 42.451 0.0 . 200 27 27 LYS N N 119.323 0.0 . 201 28 28 ALA H H 7.753 0.0 . 202 28 28 ALA HA H 4.485 0.0 . 203 28 28 ALA HB H 1.41 0.0 . 204 28 28 ALA C C 175.648 0.0 . 205 28 28 ALA CA C 52.129 0.0 . 206 28 28 ALA CB C 18.73 0.0 . 207 28 28 ALA N N 121.419 0.0 . 208 29 29 GLU H H 8.189 0.0 . 209 29 29 GLU HA H 4.194 0.0 . 210 29 29 GLU HB2 H 2.255 0.0 . 211 29 29 GLU HB3 H 2.255 0.0 . 212 29 29 GLU HG2 H 2.012 0.0 . 213 29 29 GLU HG3 H 2.012 0.0 . 214 29 29 GLU C C 176.196 0.0 . 215 29 29 GLU CA C 56.598 0.0 . 216 29 29 GLU CB C 24.811 0.0 . 217 29 29 GLU CG C 33.088 0.0 . 218 29 29 GLU N N 108.952 0.0 . 219 30 30 ILE H H 6.909 0.0 . 220 30 30 ILE HA H 3.703 0.0 . 221 30 30 ILE HB H 1.617 0.0 . 222 30 30 ILE HG12 H 0.474 0.0 . 223 30 30 ILE HG2 H 0.227 0.0 . 224 30 30 ILE C C 173.875 0.0 . 225 30 30 ILE CA C 60.604 0.0 . 226 30 30 ILE CB C 38.357 0.0 . 227 30 30 ILE CG1 C 28.99 0.0 . 228 30 30 ILE CG2 C 18.33 0.0 . 229 30 30 ILE CD1 C 13.3 0.0 . 230 30 30 ILE N N 121.093 0.0 . 231 31 31 ARG H H 7.569 0.0 . 232 31 31 ARG HA H 5.552 0.0 . 233 31 31 ARG HB2 H 1.825 0.0 . 234 31 31 ARG HB3 H 1.436 0.0 . 235 31 31 ARG HG2 H 1.364 0.0 . 236 31 31 ARG HG3 H 1.364 0.0 . 237 31 31 ARG HD2 H 3.196 0.0 . 238 31 31 ARG HD3 H 2.646 0.0 . 239 31 31 ARG C C 173.407 0.0 . 240 31 31 ARG CA C 54.204 0.0 . 241 31 31 ARG CB C 35.335 0.0 . 242 31 31 ARG CG C 28.654 0.0 . 243 31 31 ARG CD C 43.309 0.0 . 244 31 31 ARG N N 126.822 0.0 . 245 32 32 TYR H H 9.687 0.0 . 246 32 32 TYR HA H 5.825 0.0 . 247 32 32 TYR HB2 H 2.789 0.0 . 248 32 32 TYR HB3 H 2.566 0.0 . 249 32 32 TYR HD1 H 6.951 0.0 . 250 32 32 TYR HD2 H 6.951 0.0 . 251 32 32 TYR C C 175.904 0.0 . 252 32 32 TYR CA C 55.891 0.0 . 253 32 32 TYR CB C 41.644 0.0 . 254 32 32 TYR N N 125.201 0.0 . 255 33 33 GLU H H 9.035 0.0 . 256 33 33 GLU HA H 5.917 0.0 . 257 33 33 GLU HB2 H 2.139 0.0 . 258 33 33 GLU HB3 H 2.139 0.0 . 259 33 33 GLU HG2 H 2.315 0.0 . 260 33 33 GLU HG3 H 2.315 0.0 . 261 33 33 GLU C C 176.651 0.0 . 262 33 33 GLU CA C 54.316 0.0 . 263 33 33 GLU CB C 34.549 0.0 . 264 33 33 GLU CG C 36.737 0.0 . 265 33 33 GLU N N 118.131 0.0 . 266 34 34 GLY H H 8.598 0.0 . 267 34 34 GLY HA2 H 4.644 0.0 . 268 34 34 GLY HA3 H 3.796 0.0 . 269 34 34 GLY C C 170.195 0.0 . 270 34 34 GLY CA C 45.874 0.0 . 271 34 34 GLY N N 108.533 0.0 . 272 35 35 ILE H H 9.303 0.0 . 273 35 35 ILE HA H 4.689 0.0 . 274 35 35 ILE HB H 1.888 0.0 . 275 35 35 ILE HG12 H 1.474 0.0 . 276 35 35 ILE HG2 H 0.84 0.0 . 277 35 35 ILE HD1 H 0.78 0.0 . 278 35 35 ILE C C 177.387 0.0 . 279 35 35 ILE CA C 58.755 0.0 . 280 35 35 ILE CB C 38.886 0.0 . 281 35 35 ILE CG1 C 26.72 0.0 . 282 35 35 ILE CG2 C 17.03 0.0 . 283 35 35 ILE CD1 C 11.07 0.0 . 284 35 35 ILE N N 120.874 0.0 . 285 36 36 LEU H H 9.064 0.0 . 286 36 36 LEU HA H 4.366 0.0 . 287 36 36 LEU HB2 H 2.234 0.0 . 288 36 36 LEU HB3 H 1.355 0.0 . 289 36 36 LEU HD1 H 0.783 0.0 . 290 36 36 LEU HD2 H 0.73 0.0 . 291 36 36 LEU C C 174.976 0.0 . 292 36 36 LEU CA C 56.742 0.0 . 293 36 36 LEU CB C 40.951 0.0 . 294 36 36 LEU CD1 C 23.875 0.0 . 295 36 36 LEU CD2 C 26.239 0.0 . 296 36 36 LEU N N 128.032 0.0 . 297 37 37 TYR H H 9.245 0.0 . 298 37 37 TYR HA H 4.825 0.0 . 299 37 37 TYR HB2 H 3.02 0.0 . 300 37 37 TYR HB3 H 2.894 0.0 . 301 37 37 TYR HD1 H 7.082 0.0 . 302 37 37 TYR HD2 H 7.082 0.0 . 303 37 37 TYR C C 174.957 0.0 . 304 37 37 TYR CA C 60.029 0.0 . 305 37 37 TYR CB C 41.133 0.0 . 306 37 37 TYR N N 133.05 0.0 . 307 38 38 THR H H 7.657 0.0 . 308 38 38 THR HA H 4.409 0.0 . 309 38 38 THR HB H 3.983 0.0 . 310 38 38 THR HG2 H 1.24 0.0 . 311 38 38 THR C C 172.233 0.0 . 312 38 38 THR CA C 61.655 0.0 . 313 38 38 THR CB C 71.778 0.0 . 314 38 38 THR CG2 C 21.429 0.0 . 315 38 38 THR N N 109.074 0.0 . 316 39 39 ILE H H 8.394 0.0 . 317 39 39 ILE HA H 4.516 0.0 . 318 39 39 ILE HB H 1.727 0.0 . 319 39 39 ILE HG12 H 0.98 0.0 . 320 39 39 ILE HG2 H 0.92 0.0 . 321 39 39 ILE HD1 H 0.854 0.0 . 322 39 39 ILE C C 173.745 0.0 . 323 39 39 ILE CA C 60.924 0.0 . 324 39 39 ILE CB C 41.174 0.0 . 325 39 39 ILE CG1 C 28.086 0.0 . 326 39 39 ILE CG2 C 16.736 0.0 . 327 39 39 ILE CD1 C 13.853 0.0 . 328 39 39 ILE N N 123.003 0.0 . 329 40 40 ASP H H 8.489 0.0 . 330 40 40 ASP HA H 4.982 0.0 . 331 40 40 ASP HB2 H 3.307 0.0 . 332 40 40 ASP HB3 H 2.373 0.0 . 333 40 40 ASP C C 177.418 0.0 . 334 40 40 ASP CA C 52.07 0.0 . 335 40 40 ASP CB C 41.494 0.0 . 336 40 40 ASP N N 127.383 0.0 . 337 41 41 THR H H 8.734 0.0 . 338 41 41 THR HA H 4.309 0.0 . 339 41 41 THR HB H 4.131 0.0 . 340 41 41 THR HG2 H 1.24 0.0 . 341 41 41 THR C C 176.525 0.0 . 342 41 41 THR CA C 64.287 0.0 . 343 41 41 THR CB C 68.425 0.0 . 344 41 41 THR CG2 C 22.194 0.0 . 345 41 41 THR N N 117.378 0.0 . 346 42 42 GLU H H 8.415 0.0 . 347 42 42 GLU HA H 4.18 0.0 . 348 42 42 GLU HB2 H 2.077 0.0 . 349 42 42 GLU HB3 H 2.077 0.0 . 350 42 42 GLU HG2 H 2.235 0.0 . 351 42 42 GLU HG3 H 2.235 0.0 . 352 42 42 GLU C C 177.84 0.0 . 353 42 42 GLU CA C 58.957 0.0 . 354 42 42 GLU CB C 29.586 0.0 . 355 42 42 GLU CG C 36.301 0.0 . 356 42 42 GLU N N 123.375 0.0 . 357 43 43 ASN H H 7.894 0.0 . 358 43 43 ASN HA H 4.787 0.0 . 359 43 43 ASN HB2 H 2.731 0.0 . 360 43 43 ASN HB3 H 2.493 0.0 . 361 43 43 ASN C C 174.364 0.0 . 362 43 43 ASN CA C 52.768 0.0 . 363 43 43 ASN CB C 39.276 0.0 . 364 43 43 ASN N N 114.577 0.0 . 365 44 44 SER H H 7.734 0.0 . 366 44 44 SER HA H 3.88 0.0 . 367 44 44 SER HB2 H 3.88 0.0 . 368 44 44 SER C C 173.859 0.0 . 369 44 44 SER CA C 58.747 0.0 . 370 44 44 SER CB C 61.581 0.0 . 371 44 44 SER N N 115.064 0.0 . 372 45 45 THR H H 8.194 0.0 . 373 45 45 THR HA H 5.204 0.0 . 374 45 45 THR HB H 4.015 0.0 . 375 45 45 THR HG2 H 1.01 0.0 . 376 45 45 THR C C 173.962 0.0 . 377 45 45 THR CA C 60.025 0.0 . 378 45 45 THR CB C 72.375 0.0 . 379 45 45 THR CG2 C 21.46 0.0 . 380 45 45 THR N N 110.944 0.0 . 381 46 46 VAL H H 8.933 0.0 . 382 46 46 VAL HA H 4.514 0.0 . 383 46 46 VAL HB H 1.818 0.0 . 384 46 46 VAL HG1 H 0.73 0.0 . 385 46 46 VAL HG2 H 0.73 0.0 . 386 46 46 VAL C C 173.199 0.0 . 387 46 46 VAL CA C 61.052 0.0 . 388 46 46 VAL CB C 35.639 0.0 . 389 46 46 VAL CG1 C 20.993 0.0 . 390 46 46 VAL CG2 C 20.993 0.0 . 391 46 46 VAL N N 120.73 0.0 . 392 47 47 ALA H H 8.86 0.0 . 393 47 47 ALA HA H 5.488 0.0 . 394 47 47 ALA HB H 1.375 0.0 . 395 47 47 ALA C C 176.179 0.0 . 396 47 47 ALA CA C 50.462 0.0 . 397 47 47 ALA CB C 21.911 0.0 . 398 47 47 ALA N N 127.532 0.0 . 399 48 48 LEU H H 8.887 0.0 . 400 48 48 LEU HA H 5.434 0.0 . 401 48 48 LEU HB2 H 1.696 0.0 . 402 48 48 LEU HB3 H 1.223 0.0 . 403 48 48 LEU HG H 1.62 0.0 . 404 48 48 LEU HD1 H 0.68 0.0 . 405 48 48 LEU HD2 H 0.68 0.0 . 406 48 48 LEU C C 174.08 0.0 . 407 48 48 LEU CA C 52.667 0.0 . 408 48 48 LEU CB C 46.404 0.0 . 409 48 48 LEU CG C 28.162 0.0 . 410 48 48 LEU CD1 C 24.794 0.0 . 411 48 48 LEU CD2 C 24.794 0.0 . 412 48 48 LEU N N 122.53 0.0 . 413 49 49 ALA H H 9.512 0.0 . 414 49 49 ALA HA H 5.22 0.0 . 415 49 49 ALA HB H 1.266 0.0 . 416 49 49 ALA C C 177.126 0.0 . 417 49 49 ALA CA C 49.426 0.0 . 418 49 49 ALA CB C 23.284 0.0 . 419 49 49 ALA N N 122.596 0.0 . 420 50 50 LYS H H 8.065 0.0 . 421 50 50 LYS HA H 3.632 0.0 . 422 50 50 LYS HB2 H 2.095 0.0 . 423 50 50 LYS HB3 H 1.662 0.0 . 424 50 50 LYS HG2 H 1.413 0.0 . 425 50 50 LYS HE2 H 2.994 0.0 . 426 50 50 LYS C C 175.225 0.0 . 427 50 50 LYS CA C 56.597 0.0 . 428 50 50 LYS CB C 29.076 0.0 . 429 50 50 LYS CG C 24.84 0.0 . 430 50 50 LYS CE C 42.48 0.0 . 431 50 50 LYS N N 117.839 0.0 . 432 51 51 VAL H H 8.716 0.0 . 433 51 51 VAL HA H 4.922 0.0 . 434 51 51 VAL HB H 2.049 0.0 . 435 51 51 VAL HG1 H 0.837 0.0 . 436 51 51 VAL HG2 H 1.14 0.0 . 437 51 51 VAL C C 175.935 0.0 . 438 51 51 VAL CA C 61.056 0.0 . 439 51 51 VAL CB C 34.924 0.0 . 440 51 51 VAL CG2 C 24.431 0.0 . 441 51 51 VAL N N 119.308 0.0 . 442 52 52 ARG H H 9.109 0.0 . 443 52 52 ARG HA H 5.037 0.0 . 444 52 52 ARG HB2 H 1.586 0.0 . 445 52 52 ARG HB3 H 1.667 0.0 . 446 52 52 ARG HG2 H 1.592 0.0 . 447 52 52 ARG HG3 H 1.311 0.0 . 448 52 52 ARG HD2 H 3.067 0.0 . 449 52 52 ARG HD3 H 3.067 0.0 . 450 52 52 ARG C C 175.398 0.0 . 451 52 52 ARG CA C 54.039 0.0 . 452 52 52 ARG CB C 33.615 0.0 . 453 52 52 ARG CG C 26.873 0.0 . 454 52 52 ARG CD C 42.899 0.0 . 455 52 52 ARG N N 125.32 0.0 . 456 53 53 SER H H 9.8 0.0 . 457 53 53 SER HA H 4.935 0.0 . 458 53 53 SER HB2 H 3.822 0.0 . 459 53 53 SER HB3 H 3.615 0.0 . 460 53 53 SER C C 175.918 0.0 . 461 53 53 SER CA C 55.955 0.0 . 462 53 53 SER CB C 64.972 0.0 . 463 53 53 SER N N 116.967 0.0 . 464 54 54 PHE H H 9.408 0.0 . 465 54 54 PHE HA H 4.362 0.0 . 466 54 54 PHE HB2 H 3.365 0.0 . 467 54 54 PHE HB3 H 2.506 0.0 . 468 54 54 PHE HD1 H 7.107 0.0 . 469 54 54 PHE HD2 H 7.107 0.0 . 470 54 54 PHE C C 175.254 0.0 . 471 54 54 PHE CA C 58.653 0.0 . 472 54 54 PHE CB C 39.589 0.0 . 473 54 54 PHE N N 124.937 0.0 . 474 55 55 GLY H H 7.52 0.0 . 475 55 55 GLY HA2 H 4.036 0.0 . 476 55 55 GLY HA3 H 3.816 0.0 . 477 55 55 GLY C C 173.595 0.0 . 478 55 55 GLY CA C 45.269 0.0 . 479 55 55 GLY N N 106.144 0.0 . 480 56 56 THR H H 7.892 0.0 . 481 56 56 THR HA H 4.805 0.0 . 482 56 56 THR HB H 4.381 0.0 . 483 56 56 THR HG2 H 1.209 0.0 . 484 56 56 THR C C 174.118 0.0 . 485 56 56 THR CA C 63.118 0.0 . 486 56 56 THR CB C 69.138 0.0 . 487 56 56 THR CG2 C 22.84 0.0 . 488 56 56 THR N N 115.908 0.0 . 489 57 57 GLU H H 9.089 0.0 . 490 57 57 GLU HA H 3.757 0.0 . 491 57 57 GLU HB2 H 2.138 0.0 . 492 57 57 GLU HB3 H 2.138 0.0 . 493 57 57 GLU HG2 H 2.278 0.0 . 494 57 57 GLU HG3 H 2.168 0.0 . 495 57 57 GLU C C 175.907 0.0 . 496 57 57 GLU CA C 57.645 0.0 . 497 57 57 GLU CB C 28.231 0.0 . 498 57 57 GLU CG C 38.545 0.0 . 499 57 57 GLU N N 118.238 0.0 . 500 58 58 ASP H H 8.646 0.0 . 501 58 58 ASP HA H 4.756 0.0 . 502 58 58 ASP HB2 H 2.871 0.0 . 503 58 58 ASP HB3 H 2.603 0.0 . 504 58 58 ASP C C 176.885 0.0 . 505 58 58 ASP CA C 52.927 0.0 . 506 58 58 ASP CB C 39.743 0.0 . 507 58 58 ASP N N 122.559 0.0 . 508 59 59 ARG H H 8.441 0.0 . 509 59 59 ARG HA H 4.36 0.0 . 510 59 59 ARG HB2 H 1.62 0.0 . 511 59 59 ARG HB3 H 2.314 0.0 . 512 59 59 ARG HG2 H 1.8 0.0 . 513 59 59 ARG CA C 55.516 0.0 . 514 59 59 ARG CB C 28.901 0.0 . 515 59 59 ARG CD C 41.24 0.0 . 516 59 59 ARG N N 124.073 0.0 . 517 60 60 PRO HA H 4.353 0.0 . 518 60 60 PRO HB2 H 2.126 0.0 . 519 60 60 PRO HB3 H 1.88 0.0 . 520 60 60 PRO HG2 H 1.997 0.0 . 521 60 60 PRO HD2 H 3.863 0.0 . 522 60 60 PRO HD3 H 3.565 0.0 . 523 60 60 PRO C C 176.367 0.0 . 524 60 60 PRO CA C 63.306 0.0 . 525 60 60 PRO CB C 31.52 0.0 . 526 60 60 PRO CG C 27.678 0.0 . 527 60 60 PRO CD C 50.527 0.0 . 528 61 61 THR H H 7.739 0.0 . 529 61 61 THR HA H 4.52 0.0 . 530 61 61 THR HB H 4.29 0.0 . 531 61 61 THR HG2 H 0.988 0.0 . 532 61 61 THR C C 172.184 0.0 . 533 61 61 THR CA C 60.171 0.0 . 534 61 61 THR CB C 68.013 0.0 . 535 61 61 THR CG2 C 18.466 0.0 . 536 61 61 THR N N 116.422 0.0 . 537 62 62 ASP H H 8.485 0.0 . 538 62 62 ASP HA H 4.485 0.0 . 539 62 62 ASP HB2 H 2.59 0.0 . 540 62 62 ASP HB3 H 2.59 0.0 . 541 62 62 ASP C C 176.032 0.0 . 542 62 62 ASP CA C 55.258 0.0 . 543 62 62 ASP CB C 40.834 0.0 . 544 62 62 ASP N N 124.61 0.0 . 545 63 63 ARG H H 8.315 0.0 . 546 63 63 ARG HA H 5.435 0.0 . 547 63 63 ARG HB2 H 1.578 0.0 . 548 63 63 ARG HB3 H 1.755 0.0 . 549 63 63 ARG HG2 H 1.506 0.0 . 550 63 63 ARG HG3 H 1.506 0.0 . 551 63 63 ARG HD2 H 3.19 0.0 . 552 63 63 ARG HD3 H 3.19 0.0 . 553 63 63 ARG CA C 53.065 0.0 . 554 63 63 ARG CB C 31.25 0.0 . 555 63 63 ARG CG C 26.807 0.0 . 556 63 63 ARG CD C 43.566 0.0 . 557 63 63 ARG N N 121.354 0.0 . 558 64 64 PRO HA H 4.364 0.0 . 559 64 64 PRO HB2 H 2.169 0.0 . 560 64 64 PRO HB3 H 1.773 0.0 . 561 64 64 PRO HG2 H 2.0 0.0 . 562 64 64 PRO HG3 H 1.93 0.0 . 563 64 64 PRO HD2 H 3.79 0.0 . 564 64 64 PRO HD3 H 3.601 0.0 . 565 64 64 PRO C C 176.759 0.0 . 566 64 64 PRO CA C 63.026 0.0 . 567 64 64 PRO CB C 31.964 0.0 . 568 64 64 PRO CG C 27.57 0.0 . 569 64 64 PRO CD C 50.4 0.0 . 570 65 65 ILE H H 8.467 0.0 . 571 65 65 ILE HA H 4.383 0.0 . 572 65 65 ILE HB H 1.72 0.0 . 573 65 65 ILE HG12 H 1.483 0.0 . 574 65 65 ILE HG13 H 1.483 0.0 . 575 65 65 ILE HG2 H 1.049 0.0 . 576 65 65 ILE HD1 H 0.793 0.0 . 577 65 65 ILE C C 175.783 0.0 . 578 65 65 ILE CA C 59.092 0.0 . 579 65 65 ILE CB C 40.812 0.0 . 580 65 65 ILE CG1 C 26.19 0.0 . 581 65 65 ILE CG2 C 17.025 0.0 . 582 65 65 ILE CD1 C 11.373 0.0 . 583 65 65 ILE N N 123.079 0.0 . 584 66 66 ALA H H 8.633 0.0 . 585 66 66 ALA HA H 4.68 0.0 . 586 66 66 ALA HB H 1.442 0.0 . 587 66 66 ALA CA C 51.35 0.0 . 588 66 66 ALA CB C 18.2 0.0 . 589 66 66 ALA N N 132.184 0.0 . 590 67 67 PRO HA H 4.029 0.0 . 591 67 67 PRO HB2 H 2.125 0.0 . 592 67 67 PRO HG2 H 1.907 0.0 . 593 67 67 PRO CA C 62.984 0.0 . 594 67 67 PRO CB C 32.458 0.0 . 595 67 67 PRO CG C 27.25 0.0 . 596 67 67 PRO CD C 50.504 0.0 . 597 68 68 ARG H H 7.537 0.0 . 598 68 68 ARG HA H 4.685 0.0 . 599 68 68 ARG CA C 54.34 0.0 . 600 68 68 ARG CB C 32.8 0.0 . 601 68 68 ARG CG C 27.3 0.0 . 602 68 68 ARG CD C 43.121 0.0 . 603 68 68 ARG N N 119.11 0.0 . 604 69 69 ASP HA H 4.497 0.0 . 605 69 69 ASP HB2 H 2.687 0.0 . 606 69 69 ASP HB3 H 2.503 0.0 . 607 69 69 ASP C C 176.032 0.0 . 608 69 69 ASP CA C 55.258 0.0 . 609 69 69 ASP CB C 40.834 0.0 . 610 70 70 GLU H H 8.076 0.0 . 611 70 70 GLU HA H 4.121 0.0 . 612 70 70 GLU HB2 H 1.594 0.0 . 613 70 70 GLU HB3 H 1.594 0.0 . 614 70 70 GLU HG2 H 1.901 0.0 . 615 70 70 GLU HG3 H 1.901 0.0 . 616 70 70 GLU C C 175.158 0.0 . 617 70 70 GLU CA C 56.818 0.0 . 618 70 70 GLU CB C 30.543 0.0 . 619 70 70 GLU CG C 35.766 0.0 . 620 70 70 GLU N N 120.008 0.0 . 621 71 71 THR H H 8.224 0.0 . 622 71 71 THR HA H 4.594 0.0 . 623 71 71 THR HB H 3.845 0.0 . 624 71 71 THR HG2 H 0.92 0.0 . 625 71 71 THR CA C 61.29 0.0 . 626 71 71 THR CB C 69.99 0.0 . 627 71 71 THR CG2 C 21.35 0.0 . 628 71 71 THR N N 117.549 0.0 . 629 72 72 PHE HA H 4.683 0.0 . 630 72 72 PHE HB2 H 2.994 0.0 . 631 72 72 PHE HB3 H 2.747 0.0 . 632 72 72 PHE C C 176.523 0.0 . 633 72 72 PHE CA C 56.729 0.0 . 634 72 72 PHE CB C 40.261 0.0 . 635 73 73 GLU H H 9.135 0.0 . 636 73 73 GLU HA H 3.834 0.0 . 637 73 73 GLU HB2 H 2.0 0.0 . 638 73 73 GLU HB3 H 2.0 0.0 . 639 73 73 GLU HG2 H 2.256 0.0 . 640 73 73 GLU HG3 H 2.256 0.0 . 641 73 73 GLU C C 177.946 0.0 . 642 73 73 GLU CA C 60.858 0.0 . 643 73 73 GLU CB C 29.531 0.0 . 644 73 73 GLU CG C 36.099 0.0 . 645 73 73 GLU N N 125.155 0.0 . 646 74 74 TYR H H 7.545 0.0 . 647 74 74 TYR HA H 5.492 0.0 . 648 74 74 TYR HB2 H 2.784 0.0 . 649 74 74 TYR HB3 H 2.685 0.0 . 650 74 74 TYR HD1 H 6.741 0.0 . 651 74 74 TYR HD2 H 6.741 0.0 . 652 74 74 TYR C C 174.974 0.0 . 653 74 74 TYR CA C 57.361 0.0 . 654 74 74 TYR CB C 42.688 0.0 . 655 74 74 TYR N N 113.368 0.0 . 656 75 75 ILE H H 8.667 0.0 . 657 75 75 ILE HA H 3.939 0.0 . 658 75 75 ILE HB H 1.151 0.0 . 659 75 75 ILE HG12 H 1.094 0.0 . 660 75 75 ILE HG13 H 1.094 0.0 . 661 75 75 ILE HG2 H -0.168 0.0 . 662 75 75 ILE HD1 H 0.233 0.0 . 663 75 75 ILE C C 172.978 0.0 . 664 75 75 ILE CA C 61.888 0.0 . 665 75 75 ILE CB C 41.906 0.0 . 666 75 75 ILE CG1 C 27.256 0.0 . 667 75 75 ILE CG2 C 17.035 0.0 . 668 75 75 ILE CD1 C 13.212 0.0 . 669 75 75 ILE N N 121.873 0.0 . 670 76 76 ILE H H 8.019 0.0 . 671 76 76 ILE HA H 4.507 0.0 . 672 76 76 ILE HB H 1.557 0.0 . 673 76 76 ILE HG12 H 1.402 0.0 . 674 76 76 ILE HG13 H 1.402 0.0 . 675 76 76 ILE HG2 H 0.729 0.0 . 676 76 76 ILE HD1 H 0.761 0.0 . 677 76 76 ILE C C 174.911 0.0 . 678 76 76 ILE CA C 60.23 0.0 . 679 76 76 ILE CB C 38.891 0.0 . 680 76 76 ILE CG1 C 28.26 0.0 . 681 76 76 ILE CG2 C 17.348 0.0 . 682 76 76 ILE CD1 C 13.241 0.0 . 683 76 76 ILE N N 125.606 0.0 . 684 77 77 PHE H H 9.326 0.0 . 685 77 77 PHE HA H 4.622 0.0 . 686 77 77 PHE HB2 H 2.696 0.0 . 687 77 77 PHE HB3 H 2.696 0.0 . 688 77 77 PHE HD1 H 6.937 0.0 . 689 77 77 PHE HD2 H 6.937 0.0 . 690 77 77 PHE C C 175.73 0.0 . 691 77 77 PHE CA C 56.808 0.0 . 692 77 77 PHE CB C 41.548 0.0 . 693 77 77 PHE N N 126.24 0.0 . 694 78 78 ARG H H 9.047 0.0 . 695 78 78 ARG HA H 4.642 0.0 . 696 78 78 ARG HB2 H 1.96 0.0 . 697 78 78 ARG HB3 H 1.74 0.0 . 698 78 78 ARG HD2 H 3.176 0.0 . 699 78 78 ARG HD3 H 3.176 0.0 . 700 78 78 ARG C C 178.867 0.0 . 701 78 78 ARG CA C 55.657 0.0 . 702 78 78 ARG CB C 30.62 0.0 . 703 78 78 ARG CG C 27.418 0.0 . 704 78 78 ARG CD C 43.279 0.0 . 705 78 78 ARG N N 121.785 0.0 . 706 79 79 GLY H H 8.871 0.0 . 707 79 79 GLY HA2 H 3.584 0.0 . 708 79 79 GLY HA3 H 3.956 0.0 . 709 79 79 GLY C C 176.538 0.0 . 710 79 79 GLY CA C 48.048 0.0 . 711 79 79 GLY N N 112.043 0.0 . 712 80 80 SER H H 8.289 0.0 . 713 80 80 SER HA H 4.239 0.0 . 714 80 80 SER HB2 H 3.915 0.0 . 715 80 80 SER HB3 H 3.915 0.0 . 716 80 80 SER C C 174.787 0.0 . 717 80 80 SER CA C 59.863 0.0 . 718 80 80 SER CB C 62.793 0.0 . 719 80 80 SER N N 113.127 0.0 . 720 81 81 ASP H H 8.031 0.0 . 721 81 81 ASP HA H 4.937 0.0 . 722 81 81 ASP HB2 H 3.198 0.0 . 723 81 81 ASP HB3 H 2.924 0.0 . 724 81 81 ASP C C 175.642 0.0 . 725 81 81 ASP CA C 54.852 0.0 . 726 81 81 ASP CB C 42.762 0.0 . 727 81 81 ASP N N 120.273 0.0 . 728 82 82 ILE H H 7.403 0.0 . 729 82 82 ILE HA H 3.77 0.0 . 730 82 82 ILE HB H 1.868 0.0 . 731 82 82 ILE HG12 H 1.868 0.0 . 732 82 82 ILE HG2 H 0.578 0.0 . 733 82 82 ILE HD1 H 0.593 0.0 . 734 82 82 ILE C C 174.769 0.0 . 735 82 82 ILE CA C 62.839 0.0 . 736 82 82 ILE CB C 39.459 0.0 . 737 82 82 ILE CG1 C 26.657 0.0 . 738 82 82 ILE CG2 C 17.55 0.0 . 739 82 82 ILE CD1 C 13.798 0.0 . 740 82 82 ILE N N 119.888 0.0 . 741 83 83 LYS H H 9.165 0.0 . 742 83 83 LYS HA H 4.324 0.0 . 743 83 83 LYS HB2 H 1.305 0.0 . 744 83 83 LYS HB3 H 1.521 0.0 . 745 83 83 LYS HG2 H 1.284 0.0 . 746 83 83 LYS HG3 H 1.191 0.0 . 747 83 83 LYS HD2 H 1.631 0.0 . 748 83 83 LYS HD3 H 1.519 0.0 . 749 83 83 LYS HE2 H 2.899 0.0 . 750 83 83 LYS HE3 H 2.899 0.0 . 751 83 83 LYS C C 175.618 0.0 . 752 83 83 LYS CA C 57.504 0.0 . 753 83 83 LYS CB C 34.58 0.0 . 754 83 83 LYS CG C 25.238 0.0 . 755 83 83 LYS CD C 29.751 0.0 . 756 83 83 LYS CE C 41.478 0.0 . 757 83 83 LYS N N 128.514 0.0 . 758 84 84 ASP H H 7.922 0.0 . 759 84 84 ASP HA H 4.761 0.0 . 760 84 84 ASP HB2 H 2.452 0.0 . 761 84 84 ASP HB3 H 2.452 0.0 . 762 84 84 ASP C C 173.32 0.0 . 763 84 84 ASP CA C 54.114 0.0 . 764 84 84 ASP CB C 45.371 0.0 . 765 84 84 ASP N N 116.943 0.0 . 766 85 85 LEU H H 8.378 0.0 . 767 85 85 LEU HA H 4.919 0.0 . 768 85 85 LEU HB2 H 1.486 0.0 . 769 85 85 LEU HB3 H 1.486 0.0 . 770 85 85 LEU HD1 H 0.702 0.0 . 771 85 85 LEU HD2 H 0.702 0.0 . 772 85 85 LEU C C 174.815 0.0 . 773 85 85 LEU CA C 55.705 0.0 . 774 85 85 LEU CB C 44.902 0.0 . 775 85 85 LEU CG C 26.465 0.0 . 776 85 85 LEU CD1 C 25.013 0.0 . 777 85 85 LEU CD2 C 25.013 0.0 . 778 85 85 LEU N N 125.7 0.0 . 779 86 86 THR H H 9.102 0.0 . 780 86 86 THR HA H 4.662 0.0 . 781 86 86 THR HB H 3.935 0.0 . 782 86 86 THR C C 172.81 0.0 . 783 86 86 THR CA C 61.13 0.0 . 784 86 86 THR CB C 71.889 0.0 . 785 86 86 THR CG2 C 21.506 0.0 . 786 86 86 THR N N 120.448 0.0 . 787 87 87 VAL H H 8.73 0.0 . 788 87 87 VAL HA H 4.178 0.0 . 789 87 87 VAL HB H 1.849 0.0 . 790 87 87 VAL HG1 H 0.603 0.0 . 791 87 87 VAL HG2 H 0.843 0.0 . 792 87 87 VAL C C 176.083 0.0 . 793 87 87 VAL CA C 62.527 0.0 . 794 87 87 VAL CB C 32.037 0.0 . 795 87 87 VAL CG2 C 20.945 0.0 . 796 87 87 VAL N N 125.429 0.0 . 797 88 88 CYS H H 8.758 0.0 . 798 88 88 CYS HA H 4.402 0.0 . 799 88 88 CYS HB2 H 2.913 0.0 . 800 88 88 CYS HB3 H 2.536 0.0 . 801 88 88 CYS C C 174.425 0.0 . 802 88 88 CYS CA C 59.486 0.0 . 803 88 88 CYS CB C 28.152 0.0 . 804 88 88 CYS N N 126.307 0.0 . 805 89 89 GLU H H 8.114 0.0 . 806 89 89 GLU HA H 4.689 0.0 . 807 89 89 GLU HB2 H 1.893 0.0 . 808 89 89 GLU HB3 H 2.078 0.0 . 809 89 89 GLU HG2 H 2.296 0.0 . 810 89 89 GLU HG3 H 2.296 0.0 . 811 89 89 GLU CA C 54.22 0.0 . 812 89 89 GLU CB C 31.29 0.0 . 813 89 89 GLU CG C 36.024 0.0 . 814 89 89 GLU N N 121.427 0.0 . 815 91 91 PRO HA H 4.35 0.0 . 816 91 91 PRO HB2 H 1.834 0.0 . 817 91 91 PRO HB3 H 2.231 0.0 . 818 91 91 PRO HG2 H 1.921 0.0 . 819 91 91 PRO HD2 H 3.595 0.0 . 820 91 91 PRO HD3 H 3.755 0.0 . 821 91 91 PRO CA C 62.854 0.0 . 822 91 91 PRO CB C 31.974 0.0 . 823 91 91 PRO CG C 27.542 0.0 . 824 91 91 PRO CD C 50.221 0.0 . 825 92 92 LYS H H 8.292 0.0 . 826 92 92 LYS HA H 4.571 0.0 . 827 92 92 LYS HB2 H 1.702 0.0 . 828 92 92 LYS HB3 H 1.805 0.0 . 829 92 92 LYS HG2 H 1.482 0.0 . 830 92 92 LYS HD2 H 1.684 0.0 . 831 92 92 LYS HE2 H 3.003 0.0 . 832 92 92 LYS CA C 54.29 0.0 . 833 92 92 LYS CB C 32.62 0.0 . 834 92 92 LYS CG C 24.657 0.0 . 835 92 92 LYS CD C 29.099 0.0 . 836 92 92 LYS CE C 42.291 0.0 . 837 92 92 LYS N N 122.899 0.0 . 838 93 93 PRO HA H 4.419 0.0 . 839 93 93 PRO HB2 H 2.279 0.0 . 840 93 93 PRO HB3 H 1.866 0.0 . 841 93 93 PRO HG2 H 1.976 0.0 . 842 93 93 PRO HD2 H 3.805 0.0 . 843 93 93 PRO HD3 H 3.618 0.0 . 844 93 93 PRO C C 176.67 0.0 . 845 93 93 PRO CA C 63.029 0.0 . 846 93 93 PRO CB C 32.165 0.0 . 847 93 93 PRO CG C 27.42 0.0 . 848 93 93 PRO CD C 50.541 0.0 . 849 94 94 ILE H H 8.236 0.0 . 850 94 94 ILE HA H 4.11 0.0 . 851 94 94 ILE HB H 1.852 0.0 . 852 94 94 ILE HG12 H 1.507 0.0 . 853 94 94 ILE HG2 H 1.193 0.0 . 854 94 94 ILE HD1 H 0.902 0.0 . 855 94 94 ILE C C 175.475 0.0 . 856 94 94 ILE CA C 61.43 0.0 . 857 94 94 ILE CB C 38.642 0.0 . 858 94 94 ILE CG1 C 27.297 0.0 . 859 94 94 ILE CG2 C 17.444 0.0 . 860 94 94 ILE CD1 C 12.945 0.0 . 861 94 94 ILE N N 121.402 0.0 . 862 95 95 MET H H 7.896 0.0 . 863 95 95 MET HA H 4.285 0.0 . 864 95 95 MET HB2 H 1.927 0.0 . 865 95 95 MET HB3 H 2.057 0.0 . 866 95 95 MET CA C 56.98 0.0 . 867 95 95 MET CB C 34.35 0.0 . 868 95 95 MET N N 129.247 0.0 . stop_ save_